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CHEBI:186462 - PA(14:0/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:186462
ChEBI NamePA(14:0/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H63O8P
Net Charge0
Average Mass642.855
Monoisotopic Mass642.42606
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)O
InChIInChI=1S/C35H63O8P/c1-3-5-7-9-11-13-15-16-17-18-20-22-24-26-28-30-35(37)43-33(32-42-44(38,39)40)31-41-34(36)29-27-25-23-21-19-14-12-10-8-6-4-2/h5,7,11,13,16-17,33H,3-4,6,8-10,12,14-15,18-32H2,1-2H3,(H2,38,39,40)/b7-5-,13-11-,17-16-/t33-/m1/s1
InChIKeyPWUDKZCTVRNPPI-DKEKZCSRSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS3750) Strain: C57BL/6 Mouse [NCIT:C14424]
Roles Classification
Biological Role:
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
ChEBI Ontology
Outgoing Relation(s)
PA(14:0/18:3(9Z,12Z,15Z)) (CHEBI:186462) is a 1,2-diacyl-sn-glycerol 3-phosphate (CHEBI:29089)
IUPAC Name 
[(2R)-1-phosphonooxy-3-tetradecanoyloxypropan-2-yl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
74876548ChemSpider
LMGP10010928LIPID MAPS
HMDB0114781HMDB